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4-Hydroxy-4’-(trimethylacetoxy)benzophenone

CAT: 0572-TRC-H972025-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H972025-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
114031-67-3
Hazard Statement
No Data Available; UN number: UN3077; Packing Group: III
Smiles
CC(C)(C)OC(=O)c1ccc(cc1)C(=O)c2ccc(O)cc2
Molecular Formula
C18 H18 O4
Molecular Weight
298.33
InChI
InChI=1S/C18H18O4/c1-18(2,3)22-17(21)14-6-4-12(5-7-14)16(20)13-8-10-15(19)11-9-13/h4-11,19H,1-3H3
Additionnal Information
IUPAC name: tert-butyl 4-(4-hydroxybenzoyl)benzoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Hydroxy-4'-(trimethylacetoxy)benzophenone
CAS Number114031-67-3
PubChem CID4155991
IUPAC Name[4-(4-hydroxybenzoyl)phenyl] 2,2-dimethylpropanoate
Molecular FormulaC18H18O4
Molecular Weight298.3
XLogP4.1
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity394
SMILES
CC(C)(C)C(=O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C18H18O4/c1-18(2,3)17(21)22-15-10-6-13(7-11-15)16(20)12-4-8-14(19)9-5-12/h4-11,19H,1-3H3
InChIKey
KSBBNJZVDXSJKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-4'-(trimethylacetoxy)benzophenone
CAS: 114031-67-3
CID: 4155991
Formula: C18H18O4
MW: 298.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.3
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass298.12050905
Monoisotopic Mass298.12050905
Topological Polar Surface Area63.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS6079779-014-Hydroxy-4'-(trimethylacetoxy)benzophenone
H9117-97J4-Hydroxy-4’- (trimethylacetoxy) benzophenone
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B2101-304,4’-Bis (trimethylacetoxy) benzophenone
262755-014,4'-Bis (trimethylacetoxy) benzophenone
MBS6056807-014,4'-Bis(trimethylacetoxy)benzophenone
FB18692Bis (4-hydroxy) benzophenone
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